SCHEMBL21999646

SCHEMBL21999646

CC(C)(C)OC(=O)COc1ccc(-c2ccccc2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.53
MAPT P10636 7/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PTPN1 P18031 1/20 0.45
LMNA P02545 3/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
NPC1 O15118 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21999643 0.86 ACLY (0.42) ACLYMAPTKDM4EMEN1ALDH1A1
SCHEMBL12146108 0.84 ACLY (0.53) ACLYMAPTKDM4EMEN1ALDH1A1
SCHEMBL2635721 0.82 ALDH1A1 (0.49) ACLYMAPTKDM4EMEN1ALDH1A1
SCHEMBL22396983 0.80 CYP1A2 (0.46) ACLYMAPTKDM4EALDH1A1POLB
SCHEMBL22000631 0.79 MAPT (0.63) MAPTKDM4EALDH1A1KMT2AHPGD
SCHEMBL28362517 0.77 ACLY (0.48) ACLYMAPTKDM4EMEN1ALDH1A1
SCHEMBL21999652 0.77 KDM4E (0.41) ACLYMAPTKDM4EMEN1ALDH1A1
SCHEMBL22656552 0.76 POLB (0.50) ACLYMAPTKDM4EMEN1ALDH1A1
SCHEMBL13668397 0.75 TP53 (0.49) MAPTALDH1A1POLBPTPN1NPC1
SCHEMBL8770542 0.75 ALDH1A1 (0.45) ACLYMAPTKDM4EMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACLY 1/4885MAPT 4477/4885KDM4E 1181/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.